Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc(C(=O)COc2cc(Cl)cc3c2OCCC3C(=O)Nc2cncc3ccccc23)cc1 |
MW: | 551.09 |
Fraction sp3: | 0.15 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 137.68 |
cLogP: | 4.3 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ketone
KAD-UNI-877d7bed-5
0.764
KAD-UNI-877d7bed-2
0.752
MAT-POS-5369c344-1
0.702
DAR-DIA-0587064e-15
0.702
MAT-POS-5369c344-4
0.692
DAR-DIA-0587064e-12
0.692
LAU-MED-88a3970a-1
0.686
LAU-MED-88a3970a-2
0.686
DAR-DIA-0587064e-17
0.679
KAD-UNI-877d7bed-19
0.675
LAU-MED-88a3970a-3
0.673
LAU-MED-88a3970a-4
0.673
DAR-DIA-0587064e-19
0.670
MAT-POS-5369c344-3
0.670
KAD-UNI-877d7bed-8
0.667
MAT-POS-5369c344-6
0.661
KAD-UNI-877d7bed-15
0.658
NAU-LAT-0543f7f2-10
0.658
MAT-POS-5369c344-7
0.658
KAD-UNI-877d7bed-1
0.655
DAR-DIA-0587064e-10
0.655
MAT-POS-5369c344-2
0.655
RAL-THA-05e671eb-19
0.644
DAR-DIA-6a508060-4
0.644
EDJ-MED-e4b030d8-7
0.644
MAT-POS-43fe65f4-1
0.644
KAD-UNI-877d7bed-18
0.643
DAR-DIA-0587064e-22
0.643
MAT-POS-5369c344-5
0.643
DAR-DIA-0587064e-20
0.637
KAD-UNI-877d7bed-14
0.636
KAD-UNI-877d7bed-17
0.636
KAD-UNI-877d7bed-11
0.636
KAD-UNI-877d7bed-10
0.629
KAD-UNI-877d7bed-16
0.626
DAR-DIA-0587064e-24
0.621
EDJ-MED-e4b030d8-4
0.615
KAD-UNI-877d7bed-6
0.613
KAD-UNI-877d7bed-12
0.610
KAD-UNI-877d7bed-20
0.595
LAU-MED-88a3970a-16
0.595
LAU-MED-88a3970a-15
0.595
VLA-UCB-05e51b3f-11
0.593
VLA-UCB-50c39ae8-8
0.593
ALP-POS-ce760d3f-1
0.585
ALP-UNI-3735e77e-2
0.575
RAL-THA-05e671eb-16
0.575
DAR-DIA-23e5a6a0-3
0.573
DAR-DIA-23e5a6a0-5
0.573
DAR-DIA-23e5a6a0-1
0.571
KAD-UNI-877d7bed-9
0.571
EDJ-MED-e4b030d8-5
0.569
LAU-MED-88a3970a-10
0.566
LAU-MED-88a3970a-9
0.566
RAL-THA-05e671eb-18
0.565
RAL-THA-05e671eb-17
0.565
ALP-POS-fe871b40-1
0.564
RAL-THA-05e671eb-20
0.564
DAR-DIA-23e5a6a0-2
0.563
KAD-UNI-877d7bed-4
0.562
KAD-UNI-877d7bed-7
0.558
LAU-MED-88a3970a-8
0.558
LAU-MED-88a3970a-7
0.558
DAR-DIA-23e5a6a0-4
0.554
LAU-MED-88a3970a-5
0.554
LAU-MED-88a3970a-6
0.554
MIC-UNK-08fa0751-1
0.553
LAU-MED-88a3970a-14
0.548
LAU-MED-88a3970a-13
0.548
LAU-MED-88a3970a-18
0.539
LAU-MED-88a3970a-17
0.539
DAR-DIA-6a508060-5
0.538
PET-UNK-c0891748-2
0.537
EDJ-MED-12f7f543-1
0.537
ALP-POS-fe871b40-5
0.537
PET-UNK-c0891748-8
0.537
RAL-THA-05e671eb-25
0.537
LAU-MED-88a3970a-11
0.534
LAU-MED-88a3970a-12
0.534
DAR-DIA-23e5a6a0-6
0.533
DAR-DIA-23e5a6a0-10
0.529
DAR-DIA-23e5a6a0-7
0.529
RAL-THA-05e671eb-23
0.523
DAR-DIA-23e5a6a0-8
0.521
RAL-THA-05e671eb-21
0.514
ALP-POS-869ac754-2
0.509
ALP-POS-c86619f0-1
0.505
DAR-DIA-23e5a6a0-9
0.504
DAR-DIA-0587064e-26
0.504
KAD-UNI-877d7bed-3
0.503
MAT-POS-b3e365b9-1
0.495
VLA-UCB-1dbca3b4-15
0.495
MAT-POS-f7918075-1
0.495
MAT-POS-b3e365b9-2
0.495
DAR-DIA-0587064e-14
0.487
VLA-UNK-9a7dc93f-4
0.487
FRA-DIA-b66f7109-3
0.484
RAL-THA-05e671eb-3
0.482
DAR-DIA-0587064e-13
0.475
ALP-POS-869ac754-1
0.473